6-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione

• CAS: 6642-29-1
• Catalog Number: ACM6642291
• Category: Polymer/Macromolecule
• Molecular Weight: 243.1718
• Molecular Formula: C₁₂H₅NO₅
• Synonyms: 6-nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione;4-Nitro-1,8-naphthalenedicarboxylic anhydride;4-Nitronaphthalic anhydride;4-Nitro-1,8-naphthalic anhydride,4-Nitronaphthalene-1,8-dicarboxylic anhydride;4-Nitro-1,8-naphthalic anhydride 95%
• IUPAC Name: 4-Nitronaphthalene-1,8-dicarboxylic anhydride
• Canonical SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)[N+](=O)[O-]
• InChI Key: LKOZHLXUWUBRDK-UHFFFAOYSA-N
• Melting Point: 226-229ºC(lit.)
• EC Number: 229-659-4
• Exact Mass: 243.01700
• Hazard Statements: Xi
• Safety Description: 26-36

Custom Q&A

What is the molecular formula of 6-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?

The molecular formula is C12H5NO5.

What is the molecular weight of 6-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?

The molecular weight is 243.17 g/mol.

What is the IUPAC name of 6-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?

The IUPAC name is 8-nitro-3-oxatricyclo[7.3.1.0 5,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.

What is the InChI of 6-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?

The InChI is InChI=1S/C12H5NO5/c14-11-7-3-1-2-6-9(13(16)17)5-4-8(10(6)7)12(15)18-11/h1-5H.

What is the InChIKey of 6-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?

The InChIKey is LKOZHLXUWUBRDK-UHFFFAOYSA-N.

What is the canonical SMILES of 6-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?

The canonical SMILES is C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)[N+](=O)[O-].

What is the CAS number of 6-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?

The CAS number is 6642-29-1.

What is the European Community (EC) number of 6-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?

The European Community (EC) number is 229-659-4.

What is the UNII of 6-Nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione?

The UNII is 3C7AG4U84M.

Synthetic Use

Upstream Synthesis Route 1

• 602-87-9

• 6642-29-1

Reference: [1]Vasilev, Aleksey A.; Baluschev, Stanislav; Cheshmedzhieva, Diana; Ilieva, Sonia; Castaño, Obis D.; Vaquero, Juan J.; Angelova, Silvia E.; Landfester, Katharina
[Australian Journal of Chemistry, 2015, vol. 68, # 9, p. 1399 - 1408]

Downstream Synthesis Route 1

• 6642-29-1

• 6492-86-0

Reference: [1] Organic and Biomolecular Chemistry, 2015, vol. 13, # 29, p. 8016 - 8028

Downstream Synthesis Route 2

• 6642-29-1

• 6492-86-0

Reference: [1] Chemical Communications, 2004, # 20, p. 2338 - 2339
[2] Chemical Communications, 2005, # 14, p. 1901 - 1903

Downstream Synthesis Route 3

• 6642-29-1

• 1975-43-5

Reference: [1] Journal of Medicinal Chemistry, 2000, vol. 43, # 8, p. 1620 - 1634
[2] Journal of Medicinal Chemistry, 2005, vol. 48, # 20, p. 6386 - 6392

Downstream Synthesis Route 4

• 6642-29-1
• 15572-56-2

• 39061-39-7

Reference: [1]Yuki Gosei Kagaku Kyokaishi,1956,vol. 14,p. 455,457
Chem.Abstr.,1957,p. 8051

Downstream Synthesis Route 5

• 6642-29-1
• 141-43-5

• 92060-89-4

Reference: [1]Staneva, Desislava; Grabchev, Ivo; Betcheva, Rosica
[Dyes and Pigments, 2013, vol. 98, # 1, p. 64 - 70]

* For details of the synthesis route, please refer to the original source to ensure accuracy.